电邮这篇文章 DFT study of molecular structures and relative stabilities of 1,2,7-thiadiazepane 1,1-dioxide and 1,2,7-thiadiazepane 1-oxide
- 作者: Haghdadi M.1, Amiry R.2, Price L.S.3
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隶属关系:
- Department of Chemistry, Babol Branch, Islamic Azad University
- Department of Chemistry, Central Tehran Branch, Islamic Azad University
- Department of Chemistry, University College London
- 期: 卷 65, 编号 9 (2016)
- 页面: 2286-2290
- 栏目: Full Articles
- URL: https://journals.rcsi.science/1066-5285/article/view/238998
- DOI: https://doi.org/10.1007/s11172-016-1579-5
- ID: 238998
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详细
The structures and energies of 1,2,7-thiadiazepane 1,1-dioxide and the axial and equatorial conformers of 1,2,7-thiadiazepane 1-oxide were calculated using the hybrid density functional B3LYP with the cc-pVDZ basis set. The results obtained explain the lower stabilities of equatorial conformers compared to the axial analogs and the lower stabilities of sulfones compared to sulfoxides.
作者简介
M. Haghdadi
Department of Chemistry, Babol Branch, Islamic Azad University
编辑信件的主要联系方式.
Email: mhaghdadi2@gmail.com
伊朗伊斯兰共和国, Gorjiabad, 755
R. Amiry
Department of Chemistry, Central Tehran Branch, Islamic Azad University
Email: mhaghdadi2@gmail.com
伊朗伊斯兰共和国, Simay-e Iran, 14676-86831
L. Price
Department of Chemistry, University College London
Email: mhaghdadi2@gmail.com
英国, London, WC1H 0AJ
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